USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= -1.46 X(o=-1.8,f=-1.4!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.379 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.0569 K(o=-2.6,f=-4!) USER MOD Set 2.2: A 32 SER OG : rot 170:sc= -1.09 USER MOD Set 2.3: A 33 MET CE :methyl -110:sc= -1.41 (180deg=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0841 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 10 MET CE :methyl -144:sc= -4.8! (180deg=-8.19!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-3.5) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0113) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= -1.05 USER MOD Single : A 30 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00356) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.124 (180deg=-0.507) USER MOD Single : A 53 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 0.466! (180deg=-1.05!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00418 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.264 4.919 4.975 1.00 0.00 N ATOM 2 CA GLY A 1 27.221 3.860 5.238 1.00 0.00 C ATOM 3 C GLY A 1 26.901 2.587 4.479 1.00 0.00 C ATOM 4 O GLY A 1 25.830 2.464 3.884 1.00 0.00 O ATOM 0 H1 GLY A 1 26.744 5.711 4.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.506 4.558 4.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.855 5.248 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.220 4.201 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.238 3.647 6.307 1.00 0.00 H new ATOM 8 N SER A 2 27.832 1.639 4.497 1.00 0.00 N ATOM 9 CA SER A 2 27.647 0.372 3.801 1.00 0.00 C ATOM 10 C SER A 2 27.816 -0.804 4.758 1.00 0.00 C ATOM 11 O SER A 2 28.910 -1.352 4.898 1.00 0.00 O ATOM 12 CB SER A 2 28.641 0.251 2.644 1.00 0.00 C ATOM 13 OG SER A 2 28.241 1.046 1.542 1.00 0.00 O ATOM 0 H SER A 2 28.723 1.725 4.987 1.00 0.00 H new ATOM 0 HA SER A 2 26.633 0.350 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.632 0.559 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.719 -0.791 2.335 1.00 0.00 H new ATOM 0 HG SER A 2 28.894 0.952 0.817 1.00 0.00 H new ATOM 19 N SER A 3 26.726 -1.186 5.415 1.00 0.00 N ATOM 20 CA SER A 3 26.753 -2.295 6.362 1.00 0.00 C ATOM 21 C SER A 3 25.341 -2.665 6.806 1.00 0.00 C ATOM 22 O SER A 3 24.441 -1.827 6.813 1.00 0.00 O ATOM 23 CB SER A 3 27.604 -1.931 7.580 1.00 0.00 C ATOM 24 OG SER A 3 27.851 -3.069 8.388 1.00 0.00 O ATOM 0 H SER A 3 25.813 -0.744 5.309 1.00 0.00 H new ATOM 0 HA SER A 3 27.195 -3.157 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.551 -1.502 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.095 -1.167 8.168 1.00 0.00 H new ATOM 0 HG SER A 3 28.398 -2.810 9.159 1.00 0.00 H new ATOM 30 N GLY A 4 25.156 -3.929 7.175 1.00 0.00 N ATOM 31 CA GLY A 4 23.852 -4.390 7.615 1.00 0.00 C ATOM 32 C GLY A 4 22.724 -3.818 6.781 1.00 0.00 C ATOM 33 O GLY A 4 22.227 -2.727 7.060 1.00 0.00 O ATOM 0 H GLY A 4 25.886 -4.642 7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.820 -5.478 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.705 -4.112 8.659 1.00 0.00 H new ATOM 37 N SER A 5 22.318 -4.556 5.752 1.00 0.00 N ATOM 38 CA SER A 5 21.244 -4.113 4.871 1.00 0.00 C ATOM 39 C SER A 5 19.905 -4.700 5.308 1.00 0.00 C ATOM 40 O SER A 5 18.908 -3.987 5.416 1.00 0.00 O ATOM 41 CB SER A 5 21.543 -4.517 3.426 1.00 0.00 C ATOM 42 OG SER A 5 22.815 -4.044 3.017 1.00 0.00 O ATOM 0 H SER A 5 22.717 -5.463 5.508 1.00 0.00 H new ATOM 0 HA SER A 5 21.182 -3.027 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.508 -5.603 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.773 -4.116 2.766 1.00 0.00 H new ATOM 0 HG SER A 5 22.983 -4.317 2.091 1.00 0.00 H new ATOM 48 N SER A 6 19.892 -6.006 5.559 1.00 0.00 N ATOM 49 CA SER A 6 18.676 -6.691 5.981 1.00 0.00 C ATOM 50 C SER A 6 17.556 -6.485 4.965 1.00 0.00 C ATOM 51 O SER A 6 16.415 -6.209 5.331 1.00 0.00 O ATOM 52 CB SER A 6 18.233 -6.187 7.355 1.00 0.00 C ATOM 53 OG SER A 6 19.011 -6.767 8.387 1.00 0.00 O ATOM 0 H SER A 6 20.710 -6.610 5.477 1.00 0.00 H new ATOM 0 HA SER A 6 18.892 -7.757 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.323 -5.101 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.181 -6.425 7.511 1.00 0.00 H new ATOM 0 HG SER A 6 18.709 -6.427 9.255 1.00 0.00 H new ATOM 59 N GLY A 7 17.893 -6.622 3.686 1.00 0.00 N ATOM 60 CA GLY A 7 16.906 -6.447 2.636 1.00 0.00 C ATOM 61 C GLY A 7 17.190 -5.237 1.770 1.00 0.00 C ATOM 62 O GLY A 7 17.447 -4.146 2.279 1.00 0.00 O ATOM 0 H GLY A 7 18.831 -6.851 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.883 -7.340 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.918 -6.345 3.084 1.00 0.00 H new ATOM 66 N HIS A 8 17.144 -5.428 0.455 1.00 0.00 N ATOM 67 CA HIS A 8 17.399 -4.342 -0.485 1.00 0.00 C ATOM 68 C HIS A 8 16.243 -3.346 -0.491 1.00 0.00 C ATOM 69 O HIS A 8 16.408 -2.165 -0.184 1.00 0.00 O ATOM 70 CB HIS A 8 17.616 -4.898 -1.893 1.00 0.00 C ATOM 71 CG HIS A 8 19.057 -5.111 -2.237 1.00 0.00 C ATOM 72 ND1 HIS A 8 19.730 -4.347 -3.168 1.00 0.00 N ATOM 73 CD2 HIS A 8 19.957 -6.008 -1.769 1.00 0.00 C ATOM 74 CE1 HIS A 8 20.979 -4.766 -3.258 1.00 0.00 C ATOM 75 NE2 HIS A 8 21.143 -5.773 -2.419 1.00 0.00 N ATOM 0 H HIS A 8 16.933 -6.324 0.016 1.00 0.00 H new ATOM 0 HA HIS A 8 18.302 -3.822 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 8 17.085 -5.845 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.176 -4.213 -2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.775 -6.767 -1.023 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.738 -4.355 -3.907 1.00 0.00 H new ATOM 0 HE2 HIS A 8 22.010 -6.292 -2.277 1.00 0.00 H new ATOM 83 N PRO A 9 15.045 -3.831 -0.849 1.00 0.00 N ATOM 84 CA PRO A 9 13.839 -3.000 -0.903 1.00 0.00 C ATOM 85 C PRO A 9 13.363 -2.577 0.482 1.00 0.00 C ATOM 86 O PRO A 9 13.296 -3.392 1.401 1.00 0.00 O ATOM 87 CB PRO A 9 12.807 -3.915 -1.567 1.00 0.00 C ATOM 88 CG PRO A 9 13.274 -5.297 -1.260 1.00 0.00 C ATOM 89 CD PRO A 9 14.775 -5.228 -1.227 1.00 0.00 C ATOM 0 HA PRO A 9 14.011 -2.068 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.807 -3.738 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.759 -3.743 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.878 -5.640 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.932 -6.002 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.193 -5.928 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.210 -5.473 -2.196 1.00 0.00 H new ATOM 97 N MET A 10 13.035 -1.297 0.624 1.00 0.00 N ATOM 98 CA MET A 10 12.563 -0.766 1.898 1.00 0.00 C ATOM 99 C MET A 10 11.659 0.443 1.683 1.00 0.00 C ATOM 100 O MET A 10 11.551 0.960 0.570 1.00 0.00 O ATOM 101 CB MET A 10 13.749 -0.379 2.784 1.00 0.00 C ATOM 102 CG MET A 10 14.743 -1.510 2.996 1.00 0.00 C ATOM 103 SD MET A 10 14.084 -2.829 4.034 1.00 0.00 S ATOM 104 CE MET A 10 13.537 -1.895 5.461 1.00 0.00 C ATOM 0 H MET A 10 13.087 -0.608 -0.127 1.00 0.00 H new ATOM 0 HA MET A 10 11.985 -1.545 2.395 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.266 0.469 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.375 -0.048 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 10 15.029 -1.923 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.649 -1.111 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 10 13.708 -2.479 6.365 1.00 0.00 H new ATOM 0 HE2 MET A 10 14.096 -0.961 5.521 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.473 -1.676 5.367 1.00 0.00 H new ATOM 114 N CYS A 11 11.011 0.890 2.753 1.00 0.00 N ATOM 115 CA CYS A 11 10.116 2.038 2.681 1.00 0.00 C ATOM 116 C CYS A 11 10.874 3.294 2.261 1.00 0.00 C ATOM 117 O CYS A 11 11.967 3.568 2.755 1.00 0.00 O ATOM 118 CB CYS A 11 9.437 2.268 4.033 1.00 0.00 C ATOM 119 SG CYS A 11 8.017 3.406 3.969 1.00 0.00 S ATOM 0 H CYS A 11 11.089 0.474 3.681 1.00 0.00 H new ATOM 0 HA CYS A 11 9.355 1.826 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.102 1.308 4.427 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.173 2.661 4.734 1.00 0.00 H new ATOM 124 N LYS A 12 10.285 4.055 1.344 1.00 0.00 N ATOM 125 CA LYS A 12 10.902 5.283 0.857 1.00 0.00 C ATOM 126 C LYS A 12 11.308 6.185 2.017 1.00 0.00 C ATOM 127 O LYS A 12 12.383 6.784 2.002 1.00 0.00 O ATOM 128 CB LYS A 12 9.939 6.028 -0.070 1.00 0.00 C ATOM 129 CG LYS A 12 9.957 5.521 -1.501 1.00 0.00 C ATOM 130 CD LYS A 12 8.924 4.428 -1.719 1.00 0.00 C ATOM 131 CE LYS A 12 9.344 3.476 -2.828 1.00 0.00 C ATOM 132 NZ LYS A 12 8.262 2.512 -3.171 1.00 0.00 N ATOM 0 H LYS A 12 9.381 3.842 0.923 1.00 0.00 H new ATOM 0 HA LYS A 12 11.799 5.013 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.927 5.940 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.192 7.088 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.762 6.348 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.949 5.138 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.783 3.870 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.964 4.879 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.615 4.049 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.234 2.928 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.587 1.881 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.021 1.948 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.421 3.034 -3.491 1.00 0.00 H new ATOM 146 N GLU A 13 10.442 6.276 3.022 1.00 0.00 N ATOM 147 CA GLU A 13 10.713 7.106 4.190 1.00 0.00 C ATOM 148 C GLU A 13 11.700 6.418 5.129 1.00 0.00 C ATOM 149 O GLU A 13 12.682 7.019 5.565 1.00 0.00 O ATOM 150 CB GLU A 13 9.414 7.414 4.937 1.00 0.00 C ATOM 151 CG GLU A 13 9.516 8.610 5.869 1.00 0.00 C ATOM 152 CD GLU A 13 10.049 9.848 5.174 1.00 0.00 C ATOM 153 OE1 GLU A 13 11.281 9.944 4.995 1.00 0.00 O ATOM 154 OE2 GLU A 13 9.234 10.720 4.808 1.00 0.00 O ATOM 0 H GLU A 13 9.548 5.786 3.051 1.00 0.00 H new ATOM 0 HA GLU A 13 11.156 8.040 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.622 7.597 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.121 6.538 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.532 8.827 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.168 8.359 6.706 1.00 0.00 H new ATOM 161 N HIS A 14 11.432 5.153 5.437 1.00 0.00 N ATOM 162 CA HIS A 14 12.296 4.382 6.324 1.00 0.00 C ATOM 163 C HIS A 14 13.142 3.390 5.531 1.00 0.00 C ATOM 164 O HIS A 14 12.612 2.536 4.821 1.00 0.00 O ATOM 165 CB HIS A 14 11.459 3.638 7.365 1.00 0.00 C ATOM 166 CG HIS A 14 10.446 4.503 8.049 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.306 4.964 7.425 1.00 0.00 N ATOM 168 CD2 HIS A 14 10.405 4.990 9.311 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.609 5.698 8.273 1.00 0.00 C ATOM 170 NE2 HIS A 14 9.254 5.730 9.425 1.00 0.00 N ATOM 0 H HIS A 14 10.623 4.640 5.085 1.00 0.00 H new ATOM 0 HA HIS A 14 12.964 5.076 6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 14 10.947 2.807 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.124 3.209 8.115 1.00 0.00 H new ATOM 0 HD2 HIS A 14 11.141 4.827 10.085 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.671 6.189 8.061 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.947 6.224 10.263 1.00 0.00 H new ATOM 178 N GLU A 15 14.460 3.511 5.656 1.00 0.00 N ATOM 179 CA GLU A 15 15.379 2.627 4.950 1.00 0.00 C ATOM 180 C GLU A 15 15.724 1.408 5.802 1.00 0.00 C ATOM 181 O GLU A 15 15.931 0.312 5.281 1.00 0.00 O ATOM 182 CB GLU A 15 16.657 3.378 4.572 1.00 0.00 C ATOM 183 CG GLU A 15 17.448 3.873 5.771 1.00 0.00 C ATOM 184 CD GLU A 15 18.441 2.846 6.280 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.889 2.005 5.473 1.00 0.00 O ATOM 186 OE2 GLU A 15 18.769 2.882 7.484 1.00 0.00 O ATOM 0 H GLU A 15 14.915 4.213 6.240 1.00 0.00 H new ATOM 0 HA GLU A 15 14.886 2.285 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.291 2.722 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.396 4.229 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.981 4.784 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.758 4.135 6.573 1.00 0.00 H new ATOM 193 N ASP A 16 15.785 1.609 7.113 1.00 0.00 N ATOM 194 CA ASP A 16 16.105 0.528 8.038 1.00 0.00 C ATOM 195 C ASP A 16 14.839 -0.200 8.481 1.00 0.00 C ATOM 196 O ASP A 16 14.799 -1.430 8.510 1.00 0.00 O ATOM 197 CB ASP A 16 16.846 1.076 9.259 1.00 0.00 C ATOM 198 CG ASP A 16 16.882 0.086 10.406 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.151 -1.108 10.153 1.00 0.00 O ATOM 200 OD2 ASP A 16 16.643 0.504 11.558 1.00 0.00 O ATOM 0 H ASP A 16 15.617 2.510 7.560 1.00 0.00 H new ATOM 0 HA ASP A 16 16.749 -0.182 7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.866 1.336 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.363 1.995 9.591 1.00 0.00 H new ATOM 205 N GLU A 17 13.810 0.567 8.825 1.00 0.00 N ATOM 206 CA GLU A 17 12.545 -0.007 9.267 1.00 0.00 C ATOM 207 C GLU A 17 11.956 -0.918 8.195 1.00 0.00 C ATOM 208 O GLU A 17 11.644 -0.475 7.089 1.00 0.00 O ATOM 209 CB GLU A 17 11.549 1.103 9.612 1.00 0.00 C ATOM 210 CG GLU A 17 10.342 0.616 10.396 1.00 0.00 C ATOM 211 CD GLU A 17 9.338 1.719 10.667 1.00 0.00 C ATOM 212 OE1 GLU A 17 9.722 2.732 11.288 1.00 0.00 O ATOM 213 OE2 GLU A 17 8.168 1.569 10.257 1.00 0.00 O ATOM 0 H GLU A 17 13.827 1.587 8.806 1.00 0.00 H new ATOM 0 HA GLU A 17 12.738 -0.603 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.061 1.872 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.207 1.572 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.854 -0.186 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.676 0.193 11.343 1.00 0.00 H new ATOM 220 N LYS A 18 11.807 -2.196 8.529 1.00 0.00 N ATOM 221 CA LYS A 18 11.255 -3.172 7.597 1.00 0.00 C ATOM 222 C LYS A 18 9.777 -2.900 7.336 1.00 0.00 C ATOM 223 O LYS A 18 9.062 -2.411 8.211 1.00 0.00 O ATOM 224 CB LYS A 18 11.435 -4.589 8.145 1.00 0.00 C ATOM 225 CG LYS A 18 12.888 -5.006 8.289 1.00 0.00 C ATOM 226 CD LYS A 18 13.468 -5.476 6.965 1.00 0.00 C ATOM 227 CE LYS A 18 12.961 -6.863 6.597 1.00 0.00 C ATOM 228 NZ LYS A 18 13.646 -7.929 7.379 1.00 0.00 N ATOM 0 H LYS A 18 12.061 -2.580 9.439 1.00 0.00 H new ATOM 0 HA LYS A 18 11.794 -3.082 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.948 -4.658 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.928 -5.292 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.473 -4.167 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.967 -5.805 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.202 -4.770 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.556 -5.489 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.887 -6.916 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.117 -7.036 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.348 -8.862 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.676 -7.832 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.393 -7.839 8.384 1.00 0.00 H new ATOM 242 N ILE A 19 9.326 -3.221 6.128 1.00 0.00 N ATOM 243 CA ILE A 19 7.932 -3.013 5.754 1.00 0.00 C ATOM 244 C ILE A 19 6.995 -3.786 6.676 1.00 0.00 C ATOM 245 O ILE A 19 7.077 -5.009 6.777 1.00 0.00 O ATOM 246 CB ILE A 19 7.670 -3.441 4.298 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.538 -2.623 3.339 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.197 -3.280 3.955 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.383 -1.128 3.509 1.00 0.00 C ATOM 0 H ILE A 19 9.905 -3.626 5.392 1.00 0.00 H new ATOM 0 HA ILE A 19 7.735 -1.945 5.851 1.00 0.00 H new ATOM 0 HB ILE A 19 7.935 -4.493 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.584 -2.891 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.285 -2.892 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.028 -3.587 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.598 -3.902 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.907 -2.236 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.027 -0.612 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.345 -0.847 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.664 -0.846 4.524 1.00 0.00 H new ATOM 261 N ASN A 20 6.102 -3.063 7.344 1.00 0.00 N ATOM 262 CA ASN A 20 5.147 -3.681 8.257 1.00 0.00 C ATOM 263 C ASN A 20 3.825 -3.964 7.551 1.00 0.00 C ATOM 264 O ASN A 20 3.264 -5.053 7.675 1.00 0.00 O ATOM 265 CB ASN A 20 4.908 -2.776 9.467 1.00 0.00 C ATOM 266 CG ASN A 20 4.551 -3.561 10.715 1.00 0.00 C ATOM 267 OD1 ASN A 20 4.351 -4.775 10.661 1.00 0.00 O ATOM 268 ND2 ASN A 20 4.470 -2.870 11.845 1.00 0.00 N ATOM 0 H ASN A 20 6.020 -2.049 7.270 1.00 0.00 H new ATOM 0 HA ASN A 20 5.567 -4.628 8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.803 -2.184 9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.105 -2.075 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.234 -3.344 12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.644 -1.865 11.842 1.00 0.00 H new ATOM 275 N ILE A 21 3.333 -2.977 6.809 1.00 0.00 N ATOM 276 CA ILE A 21 2.078 -3.121 6.082 1.00 0.00 C ATOM 277 C ILE A 21 2.264 -2.819 4.599 1.00 0.00 C ATOM 278 O ILE A 21 3.344 -2.414 4.168 1.00 0.00 O ATOM 279 CB ILE A 21 0.988 -2.192 6.650 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.497 -0.750 6.711 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.555 -2.665 8.030 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.425 0.254 7.069 1.00 0.00 C ATOM 0 H ILE A 21 3.785 -2.069 6.696 1.00 0.00 H new ATOM 0 HA ILE A 21 1.761 -4.157 6.203 1.00 0.00 H new ATOM 0 HB ILE A 21 0.123 -2.225 5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.301 -0.688 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.925 -0.483 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.215 -1.999 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.157 -3.677 7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.413 -2.658 8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.857 1.254 7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.369 0.220 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.013 0.012 8.049 1.00 0.00 H new ATOM 294 N TYR A 22 1.205 -3.018 3.823 1.00 0.00 N ATOM 295 CA TYR A 22 1.251 -2.768 2.387 1.00 0.00 C ATOM 296 C TYR A 22 0.136 -1.817 1.963 1.00 0.00 C ATOM 297 O TYR A 22 -1.004 -1.938 2.413 1.00 0.00 O ATOM 298 CB TYR A 22 1.136 -4.083 1.615 1.00 0.00 C ATOM 299 CG TYR A 22 0.815 -3.899 0.149 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.827 -3.732 -0.788 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.500 -3.893 -0.299 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.538 -3.563 -2.128 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.798 -3.726 -1.637 1.00 0.00 C ATOM 304 CZ TYR A 22 0.224 -3.560 -2.548 1.00 0.00 C ATOM 305 OH TYR A 22 -0.067 -3.393 -3.882 1.00 0.00 O ATOM 0 H TYR A 22 0.304 -3.352 4.164 1.00 0.00 H new ATOM 0 HA TYR A 22 2.209 -2.302 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.073 -4.632 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.361 -4.697 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.857 -3.734 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.303 -4.021 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.337 -3.434 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.826 -3.725 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.038 -3.416 -4.010 1.00 0.00 H new ATOM 315 N CYS A 23 0.473 -0.871 1.093 1.00 0.00 N ATOM 316 CA CYS A 23 -0.497 0.102 0.607 1.00 0.00 C ATOM 317 C CYS A 23 -1.214 -0.419 -0.636 1.00 0.00 C ATOM 318 O CYS A 23 -0.636 -1.155 -1.437 1.00 0.00 O ATOM 319 CB CYS A 23 0.195 1.430 0.291 1.00 0.00 C ATOM 320 SG CYS A 23 -0.947 2.838 0.109 1.00 0.00 S ATOM 0 H CYS A 23 1.412 -0.758 0.710 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.237 0.263 1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.908 1.654 1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.768 1.319 -0.630 1.00 0.00 H new ATOM 325 N LEU A 24 -2.475 -0.032 -0.791 1.00 0.00 N ATOM 326 CA LEU A 24 -3.272 -0.459 -1.936 1.00 0.00 C ATOM 327 C LEU A 24 -3.412 0.669 -2.953 1.00 0.00 C ATOM 328 O LEU A 24 -2.953 0.555 -4.090 1.00 0.00 O ATOM 329 CB LEU A 24 -4.655 -0.921 -1.476 1.00 0.00 C ATOM 330 CG LEU A 24 -4.715 -2.291 -0.799 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.492 -2.506 0.080 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.992 -2.427 0.018 1.00 0.00 C ATOM 0 H LEU A 24 -2.968 0.577 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.758 -1.293 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.052 -0.178 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.317 -0.937 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.720 -3.058 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.552 -3.486 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.591 -2.453 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.456 -1.733 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.018 -3.408 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.018 -1.652 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.856 -2.318 -0.637 1.00 0.00 H new ATOM 344 N THR A 25 -4.047 1.760 -2.535 1.00 0.00 N ATOM 345 CA THR A 25 -4.247 2.909 -3.409 1.00 0.00 C ATOM 346 C THR A 25 -3.086 3.066 -4.385 1.00 0.00 C ATOM 347 O THR A 25 -3.218 2.776 -5.574 1.00 0.00 O ATOM 348 CB THR A 25 -4.401 4.210 -2.599 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.608 4.168 -1.830 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.423 5.421 -3.519 1.00 0.00 C ATOM 0 H THR A 25 -4.431 1.872 -1.597 1.00 0.00 H new ATOM 0 HA THR A 25 -5.165 2.726 -3.967 1.00 0.00 H new ATOM 0 HB THR A 25 -3.546 4.298 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.037 5.049 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.533 6.328 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.491 5.467 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.261 5.337 -4.211 1.00 0.00 H new ATOM 358 N CYS A 26 -1.949 3.528 -3.875 1.00 0.00 N ATOM 359 CA CYS A 26 -0.764 3.724 -4.701 1.00 0.00 C ATOM 360 C CYS A 26 -0.125 2.385 -5.062 1.00 0.00 C ATOM 361 O CYS A 26 0.724 2.311 -5.950 1.00 0.00 O ATOM 362 CB CYS A 26 0.252 4.606 -3.972 1.00 0.00 C ATOM 363 SG CYS A 26 0.742 3.978 -2.334 1.00 0.00 S ATOM 0 H CYS A 26 -1.824 3.774 -2.893 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.072 4.220 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.143 4.705 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.168 5.605 -3.855 1.00 0.00 H new ATOM 368 N GLU A 27 -0.540 1.331 -4.367 1.00 0.00 N ATOM 369 CA GLU A 27 -0.008 -0.004 -4.614 1.00 0.00 C ATOM 370 C GLU A 27 1.487 -0.058 -4.313 1.00 0.00 C ATOM 371 O GLU A 27 2.285 -0.484 -5.149 1.00 0.00 O ATOM 372 CB GLU A 27 -0.263 -0.418 -6.065 1.00 0.00 C ATOM 373 CG GLU A 27 -1.736 -0.570 -6.405 1.00 0.00 C ATOM 374 CD GLU A 27 -1.961 -1.042 -7.828 1.00 0.00 C ATOM 375 OE1 GLU A 27 -2.000 -2.271 -8.046 1.00 0.00 O ATOM 376 OE2 GLU A 27 -2.097 -0.183 -8.724 1.00 0.00 O ATOM 0 H GLU A 27 -1.243 1.375 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.520 -0.700 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.180 0.325 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.245 -1.362 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.193 -1.279 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.239 0.386 -6.260 1.00 0.00 H new ATOM 383 N VAL A 28 1.859 0.378 -3.114 1.00 0.00 N ATOM 384 CA VAL A 28 3.258 0.379 -2.701 1.00 0.00 C ATOM 385 C VAL A 28 3.404 -0.077 -1.254 1.00 0.00 C ATOM 386 O VAL A 28 2.750 0.437 -0.346 1.00 0.00 O ATOM 387 CB VAL A 28 3.887 1.777 -2.854 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.544 2.371 -4.212 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.427 2.693 -1.731 1.00 0.00 C ATOM 0 H VAL A 28 1.212 0.735 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 28 3.781 -0.320 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 28 4.971 1.678 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.997 3.358 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.927 1.723 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.462 2.458 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.881 3.676 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.342 2.788 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.728 2.272 -0.772 1.00 0.00 H new ATOM 399 N PRO A 29 4.283 -1.064 -1.031 1.00 0.00 N ATOM 400 CA PRO A 29 4.538 -1.611 0.306 1.00 0.00 C ATOM 401 C PRO A 29 5.270 -0.623 1.206 1.00 0.00 C ATOM 402 O PRO A 29 6.484 -0.447 1.096 1.00 0.00 O ATOM 403 CB PRO A 29 5.416 -2.834 0.028 1.00 0.00 C ATOM 404 CG PRO A 29 6.084 -2.533 -1.269 1.00 0.00 C ATOM 405 CD PRO A 29 5.098 -1.724 -2.065 1.00 0.00 C ATOM 0 HA PRO A 29 3.613 -1.845 0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.146 -2.987 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.819 -3.744 -0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.008 -1.977 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.349 -3.451 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.599 -0.998 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.490 -2.356 -2.713 1.00 0.00 H new ATOM 413 N THR A 30 4.526 0.022 2.100 1.00 0.00 N ATOM 414 CA THR A 30 5.104 0.993 3.019 1.00 0.00 C ATOM 415 C THR A 30 4.864 0.588 4.469 1.00 0.00 C ATOM 416 O THR A 30 3.945 -0.176 4.767 1.00 0.00 O ATOM 417 CB THR A 30 4.524 2.401 2.788 1.00 0.00 C ATOM 418 OG1 THR A 30 5.098 3.326 3.718 1.00 0.00 O ATOM 419 CG2 THR A 30 3.010 2.394 2.941 1.00 0.00 C ATOM 0 H THR A 30 3.520 -0.112 2.206 1.00 0.00 H new ATOM 0 HA THR A 30 6.176 1.014 2.823 1.00 0.00 H new ATOM 0 HB THR A 30 4.770 2.709 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.023 3.519 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.623 3.399 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.574 1.711 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.747 2.067 3.947 1.00 0.00 H new ATOM 427 N CYS A 31 5.695 1.105 5.368 1.00 0.00 N ATOM 428 CA CYS A 31 5.573 0.799 6.788 1.00 0.00 C ATOM 429 C CYS A 31 4.231 1.276 7.335 1.00 0.00 C ATOM 430 O CYS A 31 3.473 1.956 6.642 1.00 0.00 O ATOM 431 CB CYS A 31 6.715 1.448 7.572 1.00 0.00 C ATOM 432 SG CYS A 31 6.590 3.260 7.704 1.00 0.00 S ATOM 0 H CYS A 31 6.461 1.738 5.138 1.00 0.00 H new ATOM 0 HA CYS A 31 5.629 -0.283 6.906 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.741 1.022 8.575 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.661 1.194 7.093 1.00 0.00 H new ATOM 437 N SER A 32 3.943 0.916 8.582 1.00 0.00 N ATOM 438 CA SER A 32 2.691 1.304 9.221 1.00 0.00 C ATOM 439 C SER A 32 2.854 2.618 9.980 1.00 0.00 C ATOM 440 O SER A 32 1.951 3.048 10.697 1.00 0.00 O ATOM 441 CB SER A 32 2.219 0.206 10.175 1.00 0.00 C ATOM 442 OG SER A 32 3.265 -0.204 11.039 1.00 0.00 O ATOM 0 H SER A 32 4.560 0.356 9.170 1.00 0.00 H new ATOM 0 HA SER A 32 1.942 1.444 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.377 0.569 10.765 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.861 -0.649 9.602 1.00 0.00 H new ATOM 0 HG SER A 32 2.902 -0.784 11.740 1.00 0.00 H new ATOM 448 N MET A 33 4.011 3.250 9.815 1.00 0.00 N ATOM 449 CA MET A 33 4.292 4.515 10.483 1.00 0.00 C ATOM 450 C MET A 33 3.943 5.695 9.582 1.00 0.00 C ATOM 451 O MET A 33 3.509 6.745 10.057 1.00 0.00 O ATOM 452 CB MET A 33 5.766 4.586 10.889 1.00 0.00 C ATOM 453 CG MET A 33 6.219 3.412 11.741 1.00 0.00 C ATOM 454 SD MET A 33 5.248 3.235 13.251 1.00 0.00 S ATOM 455 CE MET A 33 4.291 1.770 12.867 1.00 0.00 C ATOM 0 H MET A 33 4.769 2.907 9.225 1.00 0.00 H new ATOM 0 HA MET A 33 3.673 4.569 11.379 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.380 4.630 9.990 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.939 5.511 11.439 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.146 2.495 11.157 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.269 3.541 12.002 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.246 2.045 12.722 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.676 1.313 11.956 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.368 1.059 13.690 1.00 0.00 H new ATOM 465 N CYS A 34 4.136 5.517 8.280 1.00 0.00 N ATOM 466 CA CYS A 34 3.843 6.567 7.312 1.00 0.00 C ATOM 467 C CYS A 34 2.337 6.758 7.156 1.00 0.00 C ATOM 468 O CYS A 34 1.843 7.885 7.117 1.00 0.00 O ATOM 469 CB CYS A 34 4.468 6.229 5.957 1.00 0.00 C ATOM 470 SG CYS A 34 6.274 6.456 5.894 1.00 0.00 S ATOM 0 H CYS A 34 4.494 4.654 7.870 1.00 0.00 H new ATOM 0 HA CYS A 34 4.273 7.498 7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.234 5.194 5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.007 6.852 5.191 1.00 0.00 H new ATOM 475 N LYS A 35 1.612 5.648 7.068 1.00 0.00 N ATOM 476 CA LYS A 35 0.162 5.691 6.918 1.00 0.00 C ATOM 477 C LYS A 35 -0.476 6.520 8.029 1.00 0.00 C ATOM 478 O LYS A 35 -1.168 7.503 7.765 1.00 0.00 O ATOM 479 CB LYS A 35 -0.415 4.274 6.930 1.00 0.00 C ATOM 480 CG LYS A 35 -1.764 4.160 6.243 1.00 0.00 C ATOM 481 CD LYS A 35 -2.893 4.627 7.147 1.00 0.00 C ATOM 482 CE LYS A 35 -3.298 3.544 8.136 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.354 4.017 9.074 1.00 0.00 N ATOM 0 H LYS A 35 2.005 4.707 7.098 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.065 6.161 5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.289 3.600 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.513 3.940 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.759 4.754 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.937 3.125 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.581 5.519 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.754 4.908 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.660 2.672 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.424 3.225 8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.591 3.256 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.006 4.844 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.204 4.281 8.536 1.00 0.00 H new ATOM 497 N VAL A 36 -0.236 6.118 9.273 1.00 0.00 N ATOM 498 CA VAL A 36 -0.784 6.826 10.424 1.00 0.00 C ATOM 499 C VAL A 36 0.003 8.099 10.713 1.00 0.00 C ATOM 500 O VAL A 36 -0.568 9.124 11.086 1.00 0.00 O ATOM 501 CB VAL A 36 -0.782 5.937 11.682 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.698 4.738 11.491 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.633 5.489 12.016 1.00 0.00 C ATOM 0 H VAL A 36 0.334 5.306 9.510 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.812 7.088 10.174 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.160 6.523 12.520 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.683 4.122 12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.715 5.083 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.353 4.148 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.615 4.862 12.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.041 4.920 11.180 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.258 6.363 12.200 1.00 0.00 H new ATOM 513 N PHE A 37 1.319 8.026 10.539 1.00 0.00 N ATOM 514 CA PHE A 37 2.186 9.173 10.781 1.00 0.00 C ATOM 515 C PHE A 37 3.069 9.454 9.568 1.00 0.00 C ATOM 516 O PHE A 37 4.287 9.293 9.623 1.00 0.00 O ATOM 517 CB PHE A 37 3.058 8.928 12.015 1.00 0.00 C ATOM 518 CG PHE A 37 2.316 8.298 13.158 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.112 8.826 13.595 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.822 7.176 13.795 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.428 8.248 14.648 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.141 6.593 14.847 1.00 0.00 C ATOM 523 CZ PHE A 37 0.942 7.129 15.274 1.00 0.00 C ATOM 0 H PHE A 37 1.808 7.185 10.232 1.00 0.00 H new ATOM 0 HA PHE A 37 1.554 10.044 10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.894 8.286 11.737 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.480 9.877 12.346 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.703 9.699 13.108 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.759 6.752 13.466 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.508 8.671 14.981 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.546 5.719 15.335 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.408 6.675 16.095 1.00 0.00 H new ATOM 533 N GLY A 38 2.442 9.874 8.473 1.00 0.00 N ATOM 534 CA GLY A 38 3.185 10.170 7.262 1.00 0.00 C ATOM 535 C GLY A 38 2.340 10.881 6.223 1.00 0.00 C ATOM 536 O GLY A 38 1.548 11.763 6.555 1.00 0.00 O ATOM 0 H GLY A 38 1.434 10.014 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.047 10.789 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.570 9.242 6.840 1.00 0.00 H new ATOM 540 N ILE A 39 2.508 10.497 4.962 1.00 0.00 N ATOM 541 CA ILE A 39 1.755 11.104 3.872 1.00 0.00 C ATOM 542 C ILE A 39 0.669 10.162 3.363 1.00 0.00 C ATOM 543 O ILE A 39 -0.331 10.601 2.794 1.00 0.00 O ATOM 544 CB ILE A 39 2.675 11.490 2.699 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.055 10.248 1.890 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.921 12.196 3.213 1.00 0.00 C ATOM 547 CD1 ILE A 39 3.992 9.313 2.623 1.00 0.00 C ATOM 0 H ILE A 39 3.159 9.768 4.670 1.00 0.00 H new ATOM 0 HA ILE A 39 1.292 12.006 4.272 1.00 0.00 H new ATOM 0 HB ILE A 39 2.137 12.176 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.148 9.706 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.524 10.561 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.561 12.462 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.632 13.100 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.464 11.532 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.219 8.455 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.915 9.839 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.518 8.970 3.543 1.00 0.00 H new ATOM 559 N HIS A 40 0.871 8.865 3.574 1.00 0.00 N ATOM 560 CA HIS A 40 -0.093 7.861 3.139 1.00 0.00 C ATOM 561 C HIS A 40 -1.373 7.943 3.964 1.00 0.00 C ATOM 562 O HIS A 40 -1.665 7.057 4.767 1.00 0.00 O ATOM 563 CB HIS A 40 0.512 6.461 3.252 1.00 0.00 C ATOM 564 CG HIS A 40 1.612 6.202 2.269 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.385 5.971 0.929 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.954 6.141 2.439 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.540 5.777 0.317 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.507 5.875 1.210 1.00 0.00 N ATOM 0 H HIS A 40 1.693 8.485 4.043 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.341 8.059 2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.898 6.322 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.275 5.721 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.489 6.276 3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.671 5.573 -0.735 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.503 5.770 1.019 1.00 0.00 H new ATOM 576 N LYS A 41 -2.134 9.013 3.761 1.00 0.00 N ATOM 577 CA LYS A 41 -3.384 9.212 4.485 1.00 0.00 C ATOM 578 C LYS A 41 -4.582 8.842 3.615 1.00 0.00 C ATOM 579 O LYS A 41 -5.462 8.095 4.041 1.00 0.00 O ATOM 580 CB LYS A 41 -3.505 10.667 4.944 1.00 0.00 C ATOM 581 CG LYS A 41 -2.503 11.051 6.019 1.00 0.00 C ATOM 582 CD LYS A 41 -2.850 10.421 7.357 1.00 0.00 C ATOM 583 CE LYS A 41 -2.185 11.157 8.509 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.705 12.544 8.656 1.00 0.00 N ATOM 0 H LYS A 41 -1.907 9.756 3.101 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.376 8.560 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.371 11.323 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.513 10.838 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.505 10.736 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.477 12.136 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.931 10.429 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.536 9.377 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.351 10.607 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.108 11.189 8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.546 12.873 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.209 13.173 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.724 12.556 8.449 1.00 0.00 H new ATOM 598 N ALA A 42 -4.606 9.367 2.395 1.00 0.00 N ATOM 599 CA ALA A 42 -5.693 9.088 1.465 1.00 0.00 C ATOM 600 C ALA A 42 -5.470 7.765 0.741 1.00 0.00 C ATOM 601 O ALA A 42 -5.831 7.616 -0.427 1.00 0.00 O ATOM 602 CB ALA A 42 -5.835 10.224 0.462 1.00 0.00 C ATOM 0 H ALA A 42 -3.885 9.988 2.027 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.617 9.007 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.651 10.002 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.050 11.152 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.907 10.333 -0.099 1.00 0.00 H new ATOM 608 N CYS A 43 -4.873 6.806 1.440 1.00 0.00 N ATOM 609 CA CYS A 43 -4.600 5.495 0.864 1.00 0.00 C ATOM 610 C CYS A 43 -5.294 4.395 1.662 1.00 0.00 C ATOM 611 O CYS A 43 -6.049 4.673 2.593 1.00 0.00 O ATOM 612 CB CYS A 43 -3.093 5.237 0.822 1.00 0.00 C ATOM 613 SG CYS A 43 -2.235 6.069 -0.553 1.00 0.00 S ATOM 0 H CYS A 43 -4.569 6.912 2.408 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.992 5.484 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.652 5.566 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.921 4.163 0.747 1.00 0.00 H new ATOM 618 N GLU A 44 -5.031 3.146 1.291 1.00 0.00 N ATOM 619 CA GLU A 44 -5.630 2.004 1.972 1.00 0.00 C ATOM 620 C GLU A 44 -4.607 0.890 2.169 1.00 0.00 C ATOM 621 O GLU A 44 -4.227 0.205 1.219 1.00 0.00 O ATOM 622 CB GLU A 44 -6.827 1.478 1.177 1.00 0.00 C ATOM 623 CG GLU A 44 -8.142 2.146 1.542 1.00 0.00 C ATOM 624 CD GLU A 44 -9.331 1.219 1.380 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.259 0.305 0.533 1.00 0.00 O ATOM 626 OE2 GLU A 44 -10.334 1.408 2.100 1.00 0.00 O ATOM 0 H GLU A 44 -4.407 2.899 0.523 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.972 2.337 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.638 1.624 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.917 0.404 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.095 2.493 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.284 3.027 0.915 1.00 0.00 H new ATOM 633 N VAL A 45 -4.163 0.715 3.410 1.00 0.00 N ATOM 634 CA VAL A 45 -3.184 -0.316 3.733 1.00 0.00 C ATOM 635 C VAL A 45 -3.868 -1.630 4.093 1.00 0.00 C ATOM 636 O VAL A 45 -4.979 -1.639 4.623 1.00 0.00 O ATOM 637 CB VAL A 45 -2.279 0.116 4.903 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.303 1.192 4.454 1.00 0.00 C ATOM 639 CG2 VAL A 45 -3.119 0.602 6.074 1.00 0.00 C ATOM 0 H VAL A 45 -4.466 1.274 4.208 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.571 -0.460 2.843 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.703 -0.749 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.672 1.484 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.679 0.804 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.857 2.060 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.464 0.903 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.723 1.454 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.773 -0.202 6.411 1.00 0.00 H new ATOM 649 N ALA A 46 -3.196 -2.739 3.802 1.00 0.00 N ATOM 650 CA ALA A 46 -3.738 -4.060 4.097 1.00 0.00 C ATOM 651 C ALA A 46 -2.655 -4.992 4.628 1.00 0.00 C ATOM 652 O ALA A 46 -1.459 -4.746 4.472 1.00 0.00 O ATOM 653 CB ALA A 46 -4.385 -4.654 2.854 1.00 0.00 C ATOM 0 H ALA A 46 -2.276 -2.749 3.362 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.497 -3.949 4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.786 -5.640 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.193 -4.004 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.640 -4.743 2.063 1.00 0.00 H new ATOM 659 N PRO A 47 -3.080 -6.088 5.273 1.00 0.00 N ATOM 660 CA PRO A 47 -2.162 -7.079 5.842 1.00 0.00 C ATOM 661 C PRO A 47 -1.431 -7.876 4.766 1.00 0.00 C ATOM 662 O PRO A 47 -2.032 -8.694 4.069 1.00 0.00 O ATOM 663 CB PRO A 47 -3.083 -7.994 6.652 1.00 0.00 C ATOM 664 CG PRO A 47 -4.417 -7.860 6.001 1.00 0.00 C ATOM 665 CD PRO A 47 -4.491 -6.445 5.497 1.00 0.00 C ATOM 0 HA PRO A 47 -1.375 -6.612 6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.734 -9.026 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.121 -7.692 7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.525 -8.572 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.220 -8.064 6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.074 -6.376 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.962 -5.784 6.224 1.00 0.00 H new ATOM 673 N LEU A 48 -0.131 -7.632 4.637 1.00 0.00 N ATOM 674 CA LEU A 48 0.682 -8.328 3.646 1.00 0.00 C ATOM 675 C LEU A 48 0.231 -9.777 3.491 1.00 0.00 C ATOM 676 O LEU A 48 0.182 -10.306 2.381 1.00 0.00 O ATOM 677 CB LEU A 48 2.158 -8.282 4.045 1.00 0.00 C ATOM 678 CG LEU A 48 2.942 -7.055 3.578 1.00 0.00 C ATOM 679 CD1 LEU A 48 3.142 -7.091 2.071 1.00 0.00 C ATOM 680 CD2 LEU A 48 2.228 -5.777 3.993 1.00 0.00 C ATOM 0 H LEU A 48 0.382 -6.958 5.206 1.00 0.00 H new ATOM 0 HA LEU A 48 0.554 -7.823 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.222 -8.337 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.648 -9.173 3.652 1.00 0.00 H new ATOM 0 HG LEU A 48 3.922 -7.071 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.702 -6.210 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.696 -7.989 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.171 -7.100 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.800 -4.914 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.234 -5.754 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.138 -5.747 5.079 1.00 0.00 H new ATOM 692 N GLN A 49 -0.100 -10.411 4.611 1.00 0.00 N ATOM 693 CA GLN A 49 -0.550 -11.798 4.598 1.00 0.00 C ATOM 694 C GLN A 49 -1.320 -12.109 3.320 1.00 0.00 C ATOM 695 O GLN A 49 -0.821 -12.806 2.436 1.00 0.00 O ATOM 696 CB GLN A 49 -1.427 -12.084 5.819 1.00 0.00 C ATOM 697 CG GLN A 49 -1.692 -13.563 6.045 1.00 0.00 C ATOM 698 CD GLN A 49 -2.886 -14.069 5.259 1.00 0.00 C ATOM 699 OE1 GLN A 49 -2.733 -14.686 4.205 1.00 0.00 O ATOM 700 NE2 GLN A 49 -4.084 -13.809 5.769 1.00 0.00 N ATOM 0 H GLN A 49 -0.065 -9.987 5.538 1.00 0.00 H new ATOM 0 HA GLN A 49 0.331 -12.439 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.947 -11.670 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.379 -11.567 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.808 -14.134 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.860 -13.740 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.164 -13.294 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.924 -14.124 5.284 1.00 0.00 H new ATOM 709 N SER A 50 -2.540 -11.589 3.228 1.00 0.00 N ATOM 710 CA SER A 50 -3.382 -11.815 2.059 1.00 0.00 C ATOM 711 C SER A 50 -4.039 -10.515 1.604 1.00 0.00 C ATOM 712 O SER A 50 -5.140 -10.522 1.052 1.00 0.00 O ATOM 713 CB SER A 50 -4.455 -12.860 2.371 1.00 0.00 C ATOM 714 OG SER A 50 -5.147 -12.539 3.565 1.00 0.00 O ATOM 0 H SER A 50 -2.967 -11.008 3.949 1.00 0.00 H new ATOM 0 HA SER A 50 -2.749 -12.184 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.161 -12.920 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.993 -13.843 2.468 1.00 0.00 H new ATOM 0 HG SER A 50 -5.828 -13.221 3.742 1.00 0.00 H new ATOM 720 N VAL A 51 -3.355 -9.400 1.839 1.00 0.00 N ATOM 721 CA VAL A 51 -3.871 -8.091 1.453 1.00 0.00 C ATOM 722 C VAL A 51 -5.391 -8.047 1.556 1.00 0.00 C ATOM 723 O VAL A 51 -6.079 -7.690 0.599 1.00 0.00 O ATOM 724 CB VAL A 51 -3.454 -7.726 0.016 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.788 -6.273 -0.284 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.971 -7.994 -0.193 1.00 0.00 C ATOM 0 H VAL A 51 -2.443 -9.376 2.295 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.442 -7.365 2.144 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.015 -8.354 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.486 -6.033 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.861 -6.117 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.256 -5.626 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.694 -7.730 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.390 -7.393 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.765 -9.051 -0.022 1.00 0.00 H new ATOM 736 N PHE A 52 -5.910 -8.413 2.723 1.00 0.00 N ATOM 737 CA PHE A 52 -7.351 -8.416 2.952 1.00 0.00 C ATOM 738 C PHE A 52 -7.867 -6.999 3.187 1.00 0.00 C ATOM 739 O PHE A 52 -7.194 -6.178 3.810 1.00 0.00 O ATOM 740 CB PHE A 52 -7.696 -9.302 4.151 1.00 0.00 C ATOM 741 CG PHE A 52 -9.077 -9.888 4.084 1.00 0.00 C ATOM 742 CD1 PHE A 52 -9.499 -10.575 2.958 1.00 0.00 C ATOM 743 CD2 PHE A 52 -9.954 -9.751 5.148 1.00 0.00 C ATOM 744 CE1 PHE A 52 -10.769 -11.116 2.893 1.00 0.00 C ATOM 745 CE2 PHE A 52 -11.225 -10.291 5.090 1.00 0.00 C ATOM 746 CZ PHE A 52 -11.634 -10.973 3.961 1.00 0.00 C ATOM 0 H PHE A 52 -5.355 -8.711 3.525 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.835 -8.817 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.969 -10.112 4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.602 -8.716 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.827 -10.689 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.641 -9.216 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.085 -11.650 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.898 -10.180 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.628 -11.394 3.913 1.00 0.00 H new ATOM 756 N GLN A 53 -9.064 -6.721 2.682 1.00 0.00 N ATOM 757 CA GLN A 53 -9.670 -5.404 2.835 1.00 0.00 C ATOM 758 C GLN A 53 -11.168 -5.520 3.099 1.00 0.00 C ATOM 759 O GLN A 53 -11.933 -5.919 2.223 1.00 0.00 O ATOM 760 CB GLN A 53 -9.425 -4.557 1.585 1.00 0.00 C ATOM 761 CG GLN A 53 -9.840 -3.104 1.743 1.00 0.00 C ATOM 762 CD GLN A 53 -9.096 -2.403 2.862 1.00 0.00 C ATOM 763 OE1 GLN A 53 -9.699 -1.950 3.836 1.00 0.00 O ATOM 764 NE2 GLN A 53 -7.778 -2.309 2.729 1.00 0.00 N ATOM 0 H GLN A 53 -9.633 -7.390 2.163 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.205 -4.917 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.366 -4.598 1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.971 -4.993 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.662 -2.575 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.911 -3.055 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.319 -2.699 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.224 -1.847 3.451 1.00 0.00 H new ATOM 773 N GLY A 54 -11.579 -5.170 4.314 1.00 0.00 N ATOM 774 CA GLY A 54 -12.984 -5.243 4.672 1.00 0.00 C ATOM 775 C GLY A 54 -13.399 -4.136 5.620 1.00 0.00 C ATOM 776 O GLY A 54 -14.044 -4.392 6.637 1.00 0.00 O ATOM 0 H GLY A 54 -10.964 -4.837 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.590 -5.188 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.188 -6.209 5.134 1.00 0.00 H new ATOM 780 N GLN A 55 -13.027 -2.904 5.288 1.00 0.00 N ATOM 781 CA GLN A 55 -13.364 -1.755 6.120 1.00 0.00 C ATOM 782 C GLN A 55 -13.331 -2.125 7.599 1.00 0.00 C ATOM 783 O GLN A 55 -14.234 -1.775 8.358 1.00 0.00 O ATOM 784 CB GLN A 55 -14.747 -1.217 5.748 1.00 0.00 C ATOM 785 CG GLN A 55 -15.857 -2.247 5.881 1.00 0.00 C ATOM 786 CD GLN A 55 -17.233 -1.615 5.951 1.00 0.00 C ATOM 787 OE1 GLN A 55 -17.375 -0.396 5.852 1.00 0.00 O ATOM 788 NE2 GLN A 55 -18.257 -2.444 6.121 1.00 0.00 N ATOM 0 H GLN A 55 -12.493 -2.676 4.450 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.620 -0.979 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.978 -0.362 6.384 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.722 -0.853 4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.818 -2.930 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.689 -2.843 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.093 -3.448 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.207 -2.077 6.174 1.00 0.00 H new ATOM 797 N LYS A 56 -12.283 -2.837 8.002 1.00 0.00 N ATOM 798 CA LYS A 56 -12.131 -3.255 9.391 1.00 0.00 C ATOM 799 C LYS A 56 -11.285 -2.253 10.171 1.00 0.00 C ATOM 800 O LYS A 56 -11.348 -2.195 11.399 1.00 0.00 O ATOM 801 CB LYS A 56 -11.489 -4.642 9.460 1.00 0.00 C ATOM 802 CG LYS A 56 -9.991 -4.633 9.207 1.00 0.00 C ATOM 803 CD LYS A 56 -9.668 -4.974 7.762 1.00 0.00 C ATOM 804 CE LYS A 56 -9.798 -6.467 7.499 1.00 0.00 C ATOM 805 NZ LYS A 56 -9.305 -6.836 6.143 1.00 0.00 N ATOM 0 H LYS A 56 -11.527 -3.136 7.386 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.122 -3.297 9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.680 -5.073 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.969 -5.292 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.586 -3.650 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.505 -5.350 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.339 -4.427 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.654 -4.649 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.236 -7.019 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.842 -6.764 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.807 -7.684 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.479 -6.050 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.285 -7.032 6.186 1.00 0.00 H new ATOM 819 N THR A 57 -10.496 -1.463 9.450 1.00 0.00 N ATOM 820 CA THR A 57 -9.639 -0.463 10.074 1.00 0.00 C ATOM 821 C THR A 57 -10.451 0.733 10.558 1.00 0.00 C ATOM 822 O THR A 57 -11.518 1.027 10.021 1.00 0.00 O ATOM 823 CB THR A 57 -8.550 0.029 9.102 1.00 0.00 C ATOM 824 OG1 THR A 57 -7.861 -1.088 8.531 1.00 0.00 O ATOM 825 CG2 THR A 57 -7.557 0.934 9.815 1.00 0.00 C ATOM 0 H THR A 57 -10.433 -1.497 8.433 1.00 0.00 H new ATOM 0 HA THR A 57 -9.163 -0.944 10.928 1.00 0.00 H new ATOM 0 HB THR A 57 -9.033 0.600 8.309 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.172 -0.766 7.913 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.798 1.269 9.108 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.080 1.799 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.080 0.383 10.626 1.00 0.00 H new ATOM 833 N GLU A 58 -9.937 1.419 11.574 1.00 0.00 N ATOM 834 CA GLU A 58 -10.617 2.583 12.129 1.00 0.00 C ATOM 835 C GLU A 58 -11.292 3.396 11.028 1.00 0.00 C ATOM 836 O GLU A 58 -10.624 3.998 10.187 1.00 0.00 O ATOM 837 CB GLU A 58 -9.625 3.464 12.893 1.00 0.00 C ATOM 838 CG GLU A 58 -10.227 4.768 13.390 1.00 0.00 C ATOM 839 CD GLU A 58 -11.444 4.551 14.268 1.00 0.00 C ATOM 840 OE1 GLU A 58 -11.268 4.379 15.493 1.00 0.00 O ATOM 841 OE2 GLU A 58 -12.571 4.553 13.732 1.00 0.00 O ATOM 0 H GLU A 58 -9.053 1.189 12.029 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.384 2.229 12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.236 2.905 13.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.777 3.688 12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.473 5.322 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.505 5.384 12.535 1.00 0.00 H new ATOM 848 N SER A 59 -12.621 3.407 11.039 1.00 0.00 N ATOM 849 CA SER A 59 -13.388 4.141 10.040 1.00 0.00 C ATOM 850 C SER A 59 -13.465 5.623 10.394 1.00 0.00 C ATOM 851 O SER A 59 -14.517 6.249 10.272 1.00 0.00 O ATOM 852 CB SER A 59 -14.798 3.560 9.920 1.00 0.00 C ATOM 853 OG SER A 59 -15.551 3.803 11.096 1.00 0.00 O ATOM 0 H SER A 59 -13.189 2.916 11.729 1.00 0.00 H new ATOM 0 HA SER A 59 -12.878 4.040 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.305 4.001 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.738 2.487 9.738 1.00 0.00 H new ATOM 0 HG SER A 59 -16.449 3.424 10.994 1.00 0.00 H new ATOM 859 N GLY A 60 -12.340 6.179 10.836 1.00 0.00 N ATOM 860 CA GLY A 60 -12.300 7.582 11.202 1.00 0.00 C ATOM 861 C GLY A 60 -11.327 8.376 10.353 1.00 0.00 C ATOM 862 O GLY A 60 -10.110 8.283 10.515 1.00 0.00 O ATOM 0 H GLY A 60 -11.456 5.682 10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.298 8.009 11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.019 7.673 12.251 1.00 0.00 H new ATOM 866 N PRO A 61 -11.865 9.177 9.422 1.00 0.00 N ATOM 867 CA PRO A 61 -11.053 10.004 8.525 1.00 0.00 C ATOM 868 C PRO A 61 -10.367 11.153 9.257 1.00 0.00 C ATOM 869 O PRO A 61 -10.896 12.262 9.324 1.00 0.00 O ATOM 870 CB PRO A 61 -12.073 10.544 7.519 1.00 0.00 C ATOM 871 CG PRO A 61 -13.372 10.522 8.249 1.00 0.00 C ATOM 872 CD PRO A 61 -13.307 9.337 9.173 1.00 0.00 C ATOM 0 HA PRO A 61 -10.243 9.435 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.816 11.553 7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.112 9.925 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.521 11.446 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.208 10.431 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.857 9.517 10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.737 8.446 8.715 1.00 0.00 H new ATOM 880 N SER A 62 -9.187 10.879 9.805 1.00 0.00 N ATOM 881 CA SER A 62 -8.431 11.889 10.536 1.00 0.00 C ATOM 882 C SER A 62 -8.007 13.025 9.610 1.00 0.00 C ATOM 883 O SER A 62 -7.613 12.795 8.466 1.00 0.00 O ATOM 884 CB SER A 62 -7.198 11.260 11.189 1.00 0.00 C ATOM 885 OG SER A 62 -6.296 10.773 10.211 1.00 0.00 O ATOM 0 H SER A 62 -8.734 9.966 9.756 1.00 0.00 H new ATOM 0 HA SER A 62 -9.076 12.299 11.314 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.697 11.999 11.815 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.505 10.444 11.843 1.00 0.00 H new ATOM 0 HG SER A 62 -5.516 10.378 10.653 1.00 0.00 H new ATOM 891 N SER A 63 -8.089 14.252 10.113 1.00 0.00 N ATOM 892 CA SER A 63 -7.718 15.426 9.332 1.00 0.00 C ATOM 893 C SER A 63 -6.238 15.752 9.511 1.00 0.00 C ATOM 894 O SER A 63 -5.548 15.134 10.320 1.00 0.00 O ATOM 895 CB SER A 63 -8.570 16.629 9.741 1.00 0.00 C ATOM 896 OG SER A 63 -8.545 17.635 8.744 1.00 0.00 O ATOM 0 H SER A 63 -8.409 14.459 11.059 1.00 0.00 H new ATOM 0 HA SER A 63 -7.899 15.203 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.598 16.309 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.201 17.036 10.682 1.00 0.00 H new ATOM 0 HG SER A 63 -9.098 18.392 9.029 1.00 0.00 H new ATOM 902 N GLY A 64 -5.757 16.729 8.748 1.00 0.00 N ATOM 903 CA GLY A 64 -4.363 17.121 8.836 1.00 0.00 C ATOM 904 C GLY A 64 -4.071 18.400 8.077 1.00 0.00 C ATOM 905 O GLY A 64 -4.733 18.666 7.075 1.00 0.00 O ATOM 0 H GLY A 64 -6.308 17.256 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.092 17.254 9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.738 16.319 8.444 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.515 4.480 5.968 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.147 4.907 -0.458 1.00 0.00 ZN